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ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate
SpectraBase Compound ID I3iCbkc94bW
InChI InChI=1S/C23H21F6N3O3S/c1-2-35-20(34)21(23(27,28)29,31-18(33)13-7-6-8-14(11-13)22(24,25)26)32-19-16(12-30)15-9-4-3-5-10-17(15)36-19/h6-8,11,32H,2-5,9-10H2,1H3,(H,31,33)
InChIKey SYCGZWUCXNFIRM-UHFFFAOYSA-N
Mol Weight 533.49 g/mol
Molecular Formula C23H21F6N3O3S
Exact Mass 533.120782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOXLw1ftItt
Name ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H21F6N3O3S/c1-2-35-20(34)21(23(27,28)29,31-18(33)13-7-6-8-14(11-13)22(24,25)26)32-19-16(12-30)15-9-4-3-5-10-17(15)36-19/h6-8,11,32H,2-5,9-10H2,1H3,(H,31,33)
InChIKey SYCGZWUCXNFIRM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_2536
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9290890; Labnumber: AU-EC00501
Temperature 303 °C